1 files changed, 28 insertions, 0 deletions
diff --git a/sci-chemistry/propka/propka-3.4.0.ebuild b/sci-chemistry/propka/propka-3.4.0.ebuild
new file mode 100644
index 000000000000..81b20fbee2e0
--- /dev/null
+++ b/sci-chemistry/propka/propka-3.4.0.ebuild
@@ -0,0 +1,28 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+PYTHON_COMPAT=( python3_{9..11} )
+DISTUTILS_USE_PEP517=setuptools
+
+inherit distutils-r1
+
+DESCRIPTION="pKa-value prediction of ionizable groups in protein and protein-ligand complexes"
+HOMEPAGE="https://github.com/jensengroup/propka"
+SRC_URI="https://github.com/jensengroup/propka/archive/refs/tags/v${PV}.tar.gz -> ${P}.gh.tar.gz"
+
+SLOT="0"
+LICENSE="LGPL-2.1"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+
+RDEPEND="dev-python/numpy[${PYTHON_USEDEP}]"
+
+distutils_enable_tests pytest
+
+python_prepare_all() {
+	# Do not install the tests
+	sed -e "/exclude/s:scripts:\', \'tests:g" \
+		-i setup.py || die
+	distutils-r1_python_prepare_all
+}